(Q104994526)

English

(1R,3aS,3bS,5S,5aS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthrene-5,7-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

1 reference

based on heuristic

inferred from SMILES

mass

432.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Poriferastane-3beta,6alpha-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(24S)-24-Ethyl-5alpha-cholestane-3beta,6beta-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₅₂O₂

0 references

canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2C1)C(C)CCC(CC)C(C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Euphorbia boetica

1 reference

stated in

Steroids and a tetracyclic diterpene from Euphorbia boetica

Joannesia princeps

1 reference

stated in

Joannesialactone and other compounds from Joannesia princeps

Mangifera indica

1 reference

stated in

29-hydroxymangiferonic acid from Mangifera indica

Identifiers

InChI

InChI=1S/C29H52O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-27,30-31H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,28-,29-/m1/s1

0 references

InChIKey

FFLGORGANMRISQ-SJSKENPGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FFLGORGANMRISQ-SJSKENPGSA-N

1 reference

(Q104994526)

(1R,3aS,3bS,5S,5aS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthrene-5,7-diol

Statements

Identifiers

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