Chem
J-GLOBAL ID:200907002526222965
Nikkaji number:J2.519.684H
(10ξ)-3-Hydroxy-6,10-epoxy-5,6-seco-9,10-seco-5ξ-cholesta-7,22-diene-1,6,9-trione
(10ξ)-3-ヒドロキシ-6,10-エポキシ-5,6-セコ-9,10-セコ-5ξ-コレスタ-7,22-ジエン-1,6,9-トリオン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C27 H40 O5
Molecular formula furigana:
C27-H40-O5
Molecular weight:
444.612
InChI:
InChI=1S/C27H40O5/c1-17(2)7-6-8-18(3)21-9-10-22-20(23(29)12-13-26(21,22)4)16-25(31)32-27(5)14-11-19(28)15-24(27)30/h6,8,16-19,21-22,28H,7,9-15H2,1-5H3/t18-,19?,21-,22+,26-,27?/m1/s1
InChI key:
RRBJXYAKFDZTMS-DFIUJHKXSA-N
SMILES:
CC(C)CC=C[C@@H](C)[C@H]1CC[C@H]2C(=CC(=O)OC3(C)CCC(O)CC3=O)C(=O)CC[C@]12C
Systematic name (3):
(10ξ)-3-ヒドロキシ-6,10-エポキシ-5,6-セコ-9,10-セコ-5ξ-コレスタ-7,22-ジエン-1,6,9-トリオン
4-ヒドロキシ-1-メチル-2-オキソシクロヘキシル 2-[(1R,3aR,7aR)-7a-メチル-1-[(2R)-6-メチルヘプタ-3-エン-2-イル]-5-オキソ-オクタヒドロ-1H-インデン-4-イリデン]アセタート
4-hydroxy-1-methyl-2-oxocyclohexyl 2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylhept-3-en-2-yl]-5-oxo-octahydro-1H-inden-4-ylidene]acetate
Other name (1):
(10ξ)-3-Hydroxy-6,10-epoxy-5,6-seco-9,10-seco-5ξ-cholesta-7,22-diene-1,6,9-trione
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