Mrv1533004161522112D 48 53 0 0 0 0 999 V2000 2.9239 -1.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8638 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 -2.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0109 -2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1947 -3.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5536 -2.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1302 -1.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5318 -0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3567 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7801 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1816 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 -1.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0065 -0.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8314 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2548 -1.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0797 -1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8505 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9241 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5030 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3279 -2.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7295 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3062 -0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7077 0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2844 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4595 0.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5327 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9342 0.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9560 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7809 -0.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5544 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9777 -2.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1014 -2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2765 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8532 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4516 -2.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0283 -2.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6267 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8018 -2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 -2.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9769 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5247 -3.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3496 -3.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7512 -2.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7729 -4.1743 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 9 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 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 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 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 25 34 1 0 0 0 0 34 35 1 0 0 0 0 23 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 19 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 15 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 8 43 1 0 0 0 0 13 43 1 0 0 0 0 43 44 1 0 0 0 0 36 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 M END > NP0327408 > NP-MRD > CC(C)C1CC(O)C2C1(C)CCC1(C)C3C(O)CC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)C(CC4(C)C3=CCC21C)OC(C)=O > InChI=1S/C38H62O10/c1-18(2)21-14-23(42)31-35(21,6)12-13-37(8)27-20(10-11-38(31,37)9)36(7)16-24(46-19(3)40)32(34(4,5)26(36)15-22(27)41)48-33-30(45)29(44)28(43)25(17-39)47-33/h10,18,21-33,39,41-45H,11-17H2,1-9H3 > IIEZTQGGXCNWOJ-UHFFFAOYSA-N > C38H62O10 > 678.904 > 678.434298196 > 9 > 110 > 76.60187730467888 > 0 > 6 > 0 > 0 > 8,21-dihydroxy-2,5,10,14,18,18-hexamethyl-6-(propan-2-yl)-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-12-en-16-yl acetate > 3.13 > 2.3679693743333323 > -4.31 > 1 > 6 > 0 > 13.200034867785163 > 12.210419192669717 > -0.15719512379468814 > 166.14 > 178.09210000000002 > 6 > 0 > 3.31e-02 g/l > 8,21-dihydroxy-6-isopropyl-2,5,10,14,18,18-hexamethyl-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-12-en-16-yl acetate > 0 > NP0327408 > 1,6-dihydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,4h,5h,5bh,6h,7h,7ah,9h,10h,11h,13h,13bh-cyclopenta[a]chrysen-10-yl acetate $$$$