(Q105223372)

English

[(3S,8S,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-acetyloxyethyl]-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-(1-Acetyloxyethyl)-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

528.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₈

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canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(O)CCC32C)C4(O)CCC(O)(C(OC(=O)C)C)C14C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@@H](C)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C

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found in taxon

Sarcostemma viminale

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stated in

[The pregnane glycosides of the climbing form of Sarcostemma viminale (L.) R.]

Cynanchum viminale

1 reference

stated in

[The pregnane glycosides of the climbing form of Sarcostemma viminale (L.) R.]

Identifiers

InChI

InChI=1S/C30H40O8/c1-18(37-19(2)31)28(34)14-15-30(36)27(28,4)24(38-25(33)20-8-6-5-7-9-20)17-23-26(3)12-11-22(32)16-21(26)10-13-29(23,30)35/h5-10,18,22-24,32,34-36H,11-17H2,1-4H3/t18-,22-,23+,24+,26-,27+,28+,29-,30+/m0/s1

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InChIKey

QKWHLZKZSPMLQZ-ADXIDNCBSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105223372)

[(3S,8S,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-acetyloxyethyl]-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] benzoate

Statements

Identifiers

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