(Q104914500)

English

[(3S,5R,8R,9S,10R,13R,14S,17R)-17-[(E,2R)-6-acetyloxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-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

[17-(6-acetyloxy-6-methylhept-4-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

528.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₆O₄

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C)C(CCC4(C)C3CCC2C1(C)C)C(C)CC=CC(OC(=O)C)(C)C)C

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isomeric SMILES

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

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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 cucumeroides

1 reference

stated in

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

Trichosanthes ovigera

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C34H56O4/c1-22(12-11-18-30(4,5)38-24(3)36)25-15-20-34(10)27-13-14-28-31(6,7)29(37-23(2)35)17-19-32(28,8)26(27)16-21-33(25,34)9/h11,18,22,25-29H,12-17,19-21H2,1-10H3/b18-11+/t22-,25-,26+,27-,28+,29+,32-,33-,34+/m1/s1

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InChIKey

AMBIWAREXJPCFC-CKGHWNIVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AMBIWAREXJPCFC-CKGHWNIVSA-N

(Q104914500)

[(3S,5R,8R,9S,10R,13R,14S,17R)-17-[(E,2R)-6-acetyloxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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