(Q120332594)

English

2beta,3beta,5beta,14beta,20R,22R,25-heptahydroxy-cholesta-7-en-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one

1 reference

based on heuristic

inferred from SMILES

mass

496.30361836799995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

polypodine B

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,5R,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

1 reference

based on heuristic

inferred from InChI

(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

1 reference

based on heuristic

inferred from InChI

(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

1 reference

based on heuristic

inferred from InChI

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

1 reference

1 reference

C₂₇H₄₄O₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4(O)CC(O)C(O)CC4(C)C3CCC12C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1[C@H](O)[C@H](O)C[C@@]2(O)C(=O)C=C3[C@]([H])(CC[C@]4([C@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](O)CCC(O)(C)C)C)[C@]21C

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Identifiers

InChI

InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26-,27+/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

GMFLGNRCCFYOKL-YMVNSCGCSA-N

1 reference

1 reference

matched by identifier from

InChIKey

GMFLGNRCCFYOKL-YMVNSCGCSA-N

LIPID MAPS ID

LMST01010574

0 references

(Q120332594)

2beta,3beta,5beta,14beta,20R,22R,25-heptahydroxy-cholesta-7-en-6-one

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