(Q104992305)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

androstane steroid

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mass

526.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₈

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canonical SMILES

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

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isomeric SMILES

CC(=O)O[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)/C=C/c3ccccc3)[C@]12C

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found in taxon

Araujia sericifera

1 reference

stated in

Acylated-oxypregnane glycosides from the roots of Araujia sericifera

Identifiers

InChI

InChI=1S/C30H38O8/c1-19(31)38-30(36)16-15-29(35)27(30,3)24(37-25(33)10-9-20-7-5-4-6-8-20)18-23-26(2)13-12-22(32)17-21(26)11-14-28(23,29)34/h4-11,22-24,32,34-36H,12-18H2,1-3H3/b10-9+/t22-,23+,24+,26-,27-,28-,29+,30+/m0/s1

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InChIKey

FAKKXRBUOOLIHY-XMCCGYRLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FAKKXRBUOOLIHY-XMCCGYRLSA-N

(Q104992305)

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

Statements

Identifiers

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