(Q104964946)

English

(1R,3S,5R,6R,8S,9S,10S,13R,14S,17R)-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6-tetrol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(6-hydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,9-tetrol

1 reference

based on heuristic

inferred from SMILES

mass

466.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₅₀O₅

0 references

canonical SMILES

OC1CC(O)C2(C)C3CCC4(C)C(CCC4C3CC(O)C2(O)C1)C(C)CCC(C)C(O)(C)C

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isomeric SMILES

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

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found in taxon

Sarcophyton elegans

1 reference

stated in

7-Dehydrosarcophytin, another Novel Diterpenoid from the Soft Coral Sarcophyton elegans of the Indian Ocean

Identifiers

InChI

InChI=1S/C28H50O5/c1-16(7-8-17(2)25(3,4)32)20-9-10-21-19-14-24(31)28(33)15-18(29)13-23(30)27(28,6)22(19)11-12-26(20,21)5/h16-24,29-33H,7-15H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23-,24-,26-,27+,28+/m1/s1

0 references

InChIKey

CMNYHNHBILDVER-BCQDXHHTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104964946)

(1R,3S,5R,6R,8S,9S,10S,13R,14S,17R)-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6-tetrol

Statements

Identifiers

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