(Q104959569)

English

(3S,3'S,8R,9S,10R,13S,14S,17S)-3'-[(1R,2S,3R)-1-hydroxy-2,3,4-trimethylpentyl]-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3'-(1-Hydroxy-2,3,4-trimethylpentyl)-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

444.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,3'S,8R,9S,10R,13S,14S,17S)-3'-[(1S,2S,3S)-1-hydroxy-2,3,4-trimethylpentyl]-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol

1 reference

based on heuristic

inferred from InChIKey

(3R,3'S,8R,9R,10R,13S,14S,17S)-3'-[(1S,2S,3S)-1-hydroxy-2,3,4-trimethylpentyl]-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O₃

0 references

canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3CCC54OC5(C)C(O)C(C)C(C)C(C)C)C2(C)CC1

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isomeric SMILES

CC(C)[C@@H](C)[C@H](C)[C@@H](O)[C@]1(C)O[C@]12CC[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C

0 references

found in taxon

Sarcophyton crassocaule

2 references

stated in

Novel epoxy steroids from the indian ocean soft coral Sarcophyton crassocaule

stated in

A rare prostaglandin from the soft coral Sarcophyton crassocaule of the Indian Ocean

Identifiers

InChI

InChI=1S/C29H48O3/c1-17(2)18(3)19(4)25(31)28(7)29(32-28)15-12-24-22-9-8-20-16-21(30)10-13-26(20,5)23(22)11-14-27(24,29)6/h8,17-19,21-25,30-31H,9-16H2,1-7H3/t18-,19+,21+,22-,23+,24+,25-,26+,27+,28+,29+/m1/s1

0 references

InChIKey

CIBBJGAKYYGAAG-ANYPVYNQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104959569)

(3S,3'S,8R,9S,10R,13S,14S,17S)-3'-[(1R,2S,3R)-1-hydroxy-2,3,4-trimethylpentyl]-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol

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Identifiers

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