(Q104912010)

English

(3S,4R,5S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-3,4-dihydroxy-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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instance of

type of chemical entity

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subclass of

17-ethylidene-3,4-dihydroxy-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

332.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₁H₃₂O₃

0 references

canonical SMILES

O=C1C(=CC)C2(C)CCC3C(CCC4C(O)C(O)CCC43C)C2C1

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isomeric SMILES

C/C=C1\C(=O)C[C@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

0 references

found in taxon

Bergia capensis

1 reference

stated in

Antiplasmodial triterpenoids from Ekebergia capensis.

Ekebergia capensis

1 reference

stated in

Antiplasmodial triterpenoids from Ekebergia capensis.

Identifiers

InChI

InChI=1S/C21H32O3/c1-4-13-18(23)11-16-12-5-6-15-19(24)17(22)8-10-21(15,3)14(12)7-9-20(13,16)2/h4,12,14-17,19,22,24H,5-11H2,1-3H3/b13-4+/t12-,14+,15-,16+,17+,19-,20-,21-/m1/s1

0 references

InChIKey

AGSIHXUUMSXXHC-VFMBVFGDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AGSIHXUUMSXXHC-VFMBVFGDSA-N

(Q104912010)

(3S,4R,5S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-3,4-dihydroxy-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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