(Q105176739)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(2,3-Dihydroxy-6-methylheptan-2-yl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

1 reference

1 reference

446.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2beta,3alpha,20R,22S-tetrahydroxy-cholesta-4,7-dien-6-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₅

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canonical SMILES

O=C1C=C2C(CCC3(C)C2CCC3C(O)(C)C(O)CCC(C)C)C4(C1=CC(O)C(O)C4)C

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isomeric SMILES

CC(C)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@@H]2C3=CC(=O)C4=C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Laurencia pinnata

1 reference

stated in

The absolute configuration of cycloeudesmol from the red alga Laurencia nipponica Yamada

Identifiers

InChI

InChI=1S/C27H42O5/c1-15(2)6-9-24(31)27(5,32)23-8-7-17-16-12-20(28)19-13-21(29)22(30)14-26(19,4)18(16)10-11-25(17,23)3/h12-13,15,17-18,21-24,29-32H,6-11,14H2,1-5H3/t17-,18+,21+,22+,23-,24+,25+,26-,27-/m1/s1

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InChIKey

NBEQHHTVOOYUFN-OHXIHUKSSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105176739)

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

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Identifiers

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