Mrv1652309052202032D 32 36 0 0 1 0 999 V2000 1.9749 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1663 0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0087 -0.3919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8532 -1.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8633 -0.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2785 -0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 0.5639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3256 1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4299 0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2439 0.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -0.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0924 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4095 -0.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 1.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6978 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1742 0.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9260 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3058 1.0755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6098 1.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4122 2.0621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9957 2.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 2.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4756 2.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 1.2055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3541 1.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 -0.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 9 7 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 9 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 2 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 22 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 3 32 1 0 0 0 0 M END > NP0204393 > NP-MRD > C[C@@H]1OC(=O)[C@]23C(=C)[C@](C)(CC4=C(C)[C@]5(CC[C@@]24C)C=CC(=O)OC5(C)C)OC(=O)[C@@]13O > InChI=1S/C25H30O7/c1-13-16-12-22(7)14(2)24(18(27)30-15(3)25(24,29)19(28)32-22)21(16,6)10-11-23(13)9-8-17(26)31-20(23,4)5/h8-9,15,29H,2,10-12H2,1,3-7H3/t15-,21+,22-,23+,24+,25-/m0/s1 > SMCXRHPIVKSWIP-SKLSBWMJSA-N > C25H30O7 > 442.508 > 442.199153306 > 4 > 62 > 45.20588578645686 > 1 > 1 > 0 > 1 > (1'S,2'R,3S,9'S,12'S,13'S)-12'-hydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-2,6-dihydro-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0^{1,12}.0^{2,7}]hexadecan]-6'-ene-6,11',15'-trione > 2.5811001203333337 > 0 > 5 > 0 > 10.789516297145743 > -4.640465571628451 > 99.13000000000001 > 114.55069999999999 > 0 > 1 > (1'S,2'R,3S,9'S,12'S,13'S)-12'-hydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0^{1,12}.0^{2,7}]hexadecan]-6'-ene-6,11',15'-trione > 0 > NP0204393 > (1's,2'r,3s,9's,12's,13's)-12'-hydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6'-ene-6,11',15'-trione $$$$