(Q105179930)

English

(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

23-Demethylacanthasterol

1 reference

based on heuristic

inferred from SMILES

mass

412.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O

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canonical SMILES

OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C)C5CC5C(C)C(C)C)C4(C)CC3

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isomeric SMILES

CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Acanthaster planci

1 reference

stated in

Identification of 23-demethylacanthasterol in an asteroid, Acanthaster planci and its synthesis

Identifiers

InChI

InChI=1S/C29H48O/c1-17(2)18(3)23-16-24(23)19(4)25-9-10-26-22-8-7-20-15-21(30)11-13-28(20,5)27(22)12-14-29(25,26)6/h8,17-21,23-27,30H,7,9-16H2,1-6H3/t18-,19-,20+,21+,23-,24-,25-,26+,27+,28+,29-/m1/s1

0 references

InChIKey

NIOJVSIHZSJIAU-GTKKGFQBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NIOJVSIHZSJIAU-GTKKGFQBSA-N

(Q105179930)

(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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Identifiers

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