Showing NP-Card for Soyasapogenol H (NP0353155)
| Record Information | ||||||||||||||||
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| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-18 02:03:08 UTC | |||||||||||||||
| Updated at | 2026-02-18 04:01:34 UTC | |||||||||||||||
| NP-MRD ID | NP0353155 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/7534 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Soyasapogenol H | |||||||||||||||
| Description | Soyasapogenol H was first documented in 2017 (PMID: 28236453). | |||||||||||||||
| Structure |  MOL for NP0353155 (Soyasapogenol H)
Mrv2104 03182323152D
34 38 0 0 0 0 999 V2000
-0.4733 -3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4895 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9355 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 -5.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1895 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6882 -6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7766 -5.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1058 -6.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8342 -6.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4452 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
9 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
8 17 1 0 0 0 0
17 18 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
2 23 1 0 0 0 0
23 24 2 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
18 27 1 0 0 0 0
17 28 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
12 32 1 0 0 0 0
9 33 1 0 0 0 0
2 34 1 0 0 0 0
M END
3D SDF for NP0353155 (Soyasapogenol H)
Mrv2104 03182323152D
34 38 0 0 0 0 999 V2000
-0.4733 -3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4895 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9355 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 -5.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1895 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6882 -6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7766 -5.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1058 -6.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8342 -6.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4452 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
9 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
8 17 1 0 0 0 0
17 18 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
2 23 1 0 0 0 0
23 24 2 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
18 27 1 0 0 0 0
17 28 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
12 32 1 0 0 0 0
9 33 1 0 0 0 0
2 34 1 0 0 0 0
M END
> <DATABASE_ID>
NP0353155
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1=O
> <INCHI_IDENTIFIER>
InChI=1/C30H48O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-22,24,31-32,34H,9-17H2,1-7H3
> <INCHI_KEY>
RIOFGOOABCKYFF-UHFFFAOYNA-N
> <FORMULA>
C30H48O4
> <MOLECULAR_WEIGHT>
472.71
> <EXACT_MASS>
472.355260026
$$$$
PDB for NP0353155 (Soyasapogenol H)HEADER PROTEIN 18-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 18-MAR-23 0 HETATM 1 C UNK 0 -0.883 -6.610 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 0.564 -7.136 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 2.104 -7.136 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 2.874 -8.470 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 4.414 -8.470 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 5.184 -7.136 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 6.724 -7.136 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 7.494 -8.470 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 9.034 -8.470 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 9.804 -7.136 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 11.344 -7.136 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 12.114 -8.470 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 11.344 -9.804 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 9.804 -9.804 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 9.034 -11.137 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 7.494 -11.137 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.724 -9.804 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 5.184 -9.804 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 4.414 -11.137 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 2.874 -11.137 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 2.104 -9.804 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 0.564 -9.804 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.206 -8.470 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.746 -8.470 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 -0.206 -11.137 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 1.334 -11.137 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 5.954 -11.137 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 6.885 -11.335 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 12.650 -10.620 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 11.397 -11.343 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 12.757 -12.066 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 13.654 -8.470 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 8.264 -7.136 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.831 -5.620 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 23 34 CONECT 3 2 4 CONECT 4 3 5 21 CONECT 5 4 6 18 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 17 CONECT 9 8 10 14 33 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 13 32 CONECT 13 12 14 29 30 CONECT 14 13 9 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 8 18 28 CONECT 18 17 5 19 27 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 4 22 26 CONECT 22 21 23 25 CONECT 23 22 2 24 CONECT 24 23 CONECT 25 22 CONECT 26 21 CONECT 27 18 CONECT 28 17 CONECT 29 13 CONECT 30 13 31 CONECT 31 30 CONECT 32 12 CONECT 33 9 CONECT 34 2 MASTER 0 0 0 0 0 0 0 0 34 0 76 0 END SMILES for NP0353155 (Soyasapogenol H)CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1=O INCHI for NP0353155 (Soyasapogenol H)InChI=1/C30H48O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-22,24,31-32,34H,9-17H2,1-7H3 3D Structure for NP0353155 (Soyasapogenol H) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C30H48O4 | |||||||||||||||
| Average Mass | 472.7100 Da | |||||||||||||||
| Monoisotopic Mass | 472.35526 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1=O | |||||||||||||||
| InChI Identifier | InChI=1/C30H48O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-22,24,31-32,34H,9-17H2,1-7H3 | |||||||||||||||
| InChI Key | RIOFGOOABCKYFF-UHFFFAOYNA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | ||||||||||||||||
