(Q105239839)

English

[(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-2-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-2-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

540.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₂O₅

0 references

canonical SMILES

O=C(OCC1(C)CCC2(C)CCC3(C=4C(=O)CC5C(C4CCC3(C)C2C1)(C)CCC(OC(=O)C)C5(C)C)C)C

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isomeric SMILES

CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC4=O

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found in taxon

Cucurbita moschata

1 reference

stated in

7-oxodihydrokarounidol-3-benzoate and other triterpenes from the seeds of cucurbitaceae

Trichosanthes dioica

1 reference

stated in

7-OX0-10α-Cucurbitadienol from the seeds of Trichosanthes kirilowii and its anti-inflammatory effect

Identifiers

InChI

InChI=1S/C34H52O5/c1-21(35)38-20-30(5)14-15-31(6)16-17-34(9)28-23(10-13-33(34,8)26(31)19-30)32(7)12-11-27(39-22(2)36)29(3,4)25(32)18-24(28)37/h25-27H,10-20H2,1-9H3/t25-,26+,27+,30+,31+,32+,33-,34+/m0/s1

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InChIKey

RLDFDPLBAQSKKF-BWLYRDJQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RLDFDPLBAQSKKF-BWLYRDJQSA-N

(Q105239839)

[(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-2-yl]methyl acetate

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