(Q105346351)

English

[(1R,3aR,3bR,4R,10aS,10bR,12aR)-4-acetyloxy-1-[(Z)-6-hydroxy-6-methylhept-2-en-2-yl]-3a,3b,6,6-tetramethyl-8-oxo-1,2,3,4,9,10,10b,11,12,12a-decahydroindeno[5,4-g][2]benzoxepin-10a-yl]methyl acetate

chemical compound

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type of chemical entity

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subclass of

[4-Acetyloxy-1-(6-hydroxy-6-methylhept-2-en-2-yl)-3a,3b,6,6-tetramethyl-8-oxo-1,2,3,4,9,10,10b,11,12,12a-decahydroindeno[5,4-g][2]benzoxepin-10a-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

[(1R,3aR,3bR,4R,10aS)-4-acetyloxy-1-[(Z)-6-hydroxy-6-methylhept-2-en-2-yl]-3a,3b,6,6-tetramethyl-8-oxo-1,2,3,4,9,10,10b,11,12,12a-decahydroindeno[5,4-g][2]benzoxepin-10a-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

572.371304004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₂O₇

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canonical SMILES

O=C(OCC12C(=CC(OC(=O)C)C3(C)C1CCC4C(C(=CCCC(O)(C)C)C)CCC43C)C(OC(=O)CC2)(C)C)C

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isomeric SMILES

CC(=O)OC[C@]12CCC(=O)OC(C)(C)C1=C[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@H]2[C@H](/C(C)=C\CCC(C)(C)O)CC[C@]21C

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found in taxon

Cleome droserifolia

1 reference

stated in

Terpenoids from Cleome droserifolia (Forssk.) Del.

Cleome ovalifolia

1 reference

stated in

Terpenoids from Cleome droserifolia (Forssk.) Del.

Identifiers

InChI

InChI=1S/C34H52O7/c1-21(11-10-16-30(4,5)38)24-14-17-32(8)25(24)12-13-26-33(32,9)28(40-23(3)36)19-27-31(6,7)41-29(37)15-18-34(26,27)20-39-22(2)35/h11,19,24-26,28,38H,10,12-18,20H2,1-9H3/b21-11-/t24-,25+,26-,28+,32+,33-,34-/m0/s1

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InChIKey

YCLLXMHNUCXRQO-KXXNKQMISA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105346351)

[(1R,3aR,3bR,4R,10aS,10bR,12aR)-4-acetyloxy-1-[(Z)-6-hydroxy-6-methylhept-2-en-2-yl]-3a,3b,6,6-tetramethyl-8-oxo-1,2,3,4,9,10,10b,11,12,12a-decahydroindeno[5,4-g][2]benzoxepin-10a-yl]methyl acetate

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