(Q105240733)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cholestane steroid

0 references

mass

488.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₆

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(C)C(=C[C@@H]1O)C(=O)C=C1[C@H]3CC[C@@H]([C@@](C)(O)[C@@H](O)CCC(C)C)[C@@]3(C)CC[C@@H]12

0 references

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/C29H44O6/c1-16(2)7-10-26(33)29(6,34)25-9-8-19-18-13-22(31)21-14-23(32)24(35-17(3)30)15-28(21,5)20(18)11-12-27(19,25)4/h13-14,16,19-20,23-26,32-34H,7-12,15H2,1-6H3/t19-,20+,23+,24+,25-,26+,27+,28-,29-/m1/s1

0 references

InChIKey

RMENLPCGRPPGAV-RMCSFTSASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RMENLPCGRPPGAV-RMCSFTSASA-N

(Q105240733)

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

Statements

Identifiers

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