(Q105224484)

English

[(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-14-hydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

pregnane steroid

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mass

574.35056856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₀O₈

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canonical SMILES

O=C(OC1CC2C(CC=C3CC(OC4OC(C)C(O)C(OC)C4)CCC32C)C5(O)CCC(C(=O)C)C15C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3C[C@@H](O[C@H]4C[C@H](OC)[C@H](O)[C@@H](C)O4)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C

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found in taxon

Hoodia gordonii

1 reference

stated in

An appetite suppressant from Hoodia species

Identifiers

InChI

InChI=1S/C33H50O8/c1-8-18(2)30(36)41-27-16-25-24(33(37)14-12-23(19(3)34)32(27,33)6)10-9-21-15-22(11-13-31(21,25)5)40-28-17-26(38-7)29(35)20(4)39-28/h8-9,20,22-29,35,37H,10-17H2,1-7H3/b18-8+/t20-,22+,23-,24-,25+,26+,27-,28+,29-,31+,32+,33+/m1/s1

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InChIKey

QNIUHQWQUIZGCV-RKMFXWKNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QNIUHQWQUIZGCV-RKMFXWKNSA-N

1 reference

(Q105224484)

[(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-14-hydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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