(Q105251690)

English

[(3S,5R,8R,9R,10R,13S,14R,15R,17R)-15-acetyloxy-17-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxofuran-2-yl]-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[15-Acetyloxy-17-hydroxy-4,4,8,10,14-pentamethyl-17-(2-methyl-5-oxofuran-2-yl)-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

530.324353812 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,5R,8R,9R,10R,13S,14R,15R,17R)-15-acetyloxy-17-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxofuran-2-yl]-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₆O₇

0 references

canonical SMILES

O=C1OC(C=C1)(C)C2(O)CC(OC(=O)C)C3(C)C2CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC43C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@](O)([C@]4(C)C=CC(=O)O4)C[C@@H](OC(C)=O)[C@]23C)C1(C)C

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found in taxon

Cleome amblyocarpa

1 reference

stated in

Dammarane triterpenes from Cleome amblyocarpa

Identifiers

InChI

InChI=1S/C31H46O7/c1-18(32)36-23-12-14-27(5)20(26(23,3)4)11-15-28(6)21(27)9-10-22-30(28,8)24(37-19(2)33)17-31(22,35)29(7)16-13-25(34)38-29/h13,16,20-24,35H,9-12,14-15,17H2,1-8H3/t20-,21+,22-,23-,24+,27-,28+,29-,30-,31+/m0/s1

0 references

InChIKey

SFDSZFBIIOBSGC-XIORKPECSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105251690)

[(3S,5R,8R,9R,10R,13S,14R,15R,17R)-15-acetyloxy-17-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxofuran-2-yl]-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

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