(Q104936594)

English

[(3S,5R,8R,9R,10R,14S,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[4,4,8,10,14-pentamethyl-17-(6-methylhept-6-en-2-yl)-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-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)C3CC=C4C(CCC4(C)C3(C)CCC2C1(C)C)C(C)CCCC(=C)C)C

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isomeric SMILES

C=C(C)CCC[C@@H](C)[C@H]1CC[C@]2(C)C1=CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C

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found in taxon

Commelina undulata

1 reference

stated in

A dammarane triterpene from Commelina undulata

Identifiers

InChI

InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-31(8)25(24)13-14-27-30(7)18-17-28(34-23(4)33)29(5,6)26(30)16-20-32(27,31)9/h13,22,24,26-28H,1,10-12,14-20H2,2-9H3/t22-,24-,26+,27-,28+,30+,31-,32-/m1/s1

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InChIKey

BILFQFDWRUXJBB-QMKWDLHSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BILFQFDWRUXJBB-QMKWDLHSSA-N

(Q104936594)

[(3S,5R,8R,9R,10R,14S,17R)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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