(Q105352980)

English

[(1S,3aR,5aS,7aR,9S,11aR,11bR,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(3a,5a,8,8,11a,13a-Hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC5(C)CCC(C(C)C)C5C4(C)CC3)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]5[C@H](C(C)C)CC[C@]5(C)CC[C@]4(C)C3=CC[C@H]2C1(C)C

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found in taxon

Elephantopus mollis

1 reference

stated in

Cytotoxic triterpene and sesquiterpene lactones from Elephantopus mollis and induction of apoptosis in neuroblastoma cells

Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-21(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(22)29/h10,20,22-23,25-27H,11-19H2,1-9H3/t22-,23-,25-,26-,27+,29+,30+,31+,32-/m0/s1

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InChIKey

YRPZEELVGGPGGI-NCVCLENPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105352980)

[(1S,3aR,5aS,7aR,9S,11aR,11bR,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate

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Identifiers

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