(Q105005003)

English

(3R,5S,8R,9S,10S,13S,14S)-17-ethylidene-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-ethylidene-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from SMILES

mass

316.240230264 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

17-Ethylidene-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₂

0 references

canonical SMILES

O=C1C(=CC)C2(C)CCC3C(CCC4CC(O)CCC43C)C2C1

0 references

isomeric SMILES

CC=C1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

0 references

found in taxon

Toona ciliata

1 reference

stated in

Structural and stereochemical studies of five new pregnane steroids from the stem bark of Toona ciliata var. pubescens.

Identifiers

InChI

InChI=1S/C21H32O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,13-15,17-18,22H,5-12H2,1-3H3/t13-,14+,15+,17-,18-,20-,21+/m0/s1

0 references

InChIKey

FZLHJBYSYBKMAV-RGQKKQMASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FZLHJBYSYBKMAV-RGQKKQMASA-N

(Q105005003)

(3R,5S,8R,9S,10S,13S,14S)-17-ethylidene-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

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Identifiers

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