(Q104389589)

English

(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,7,8,9,10,12,12a,13,14-dodecahydropicen-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

multiflorane triterpenoid

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mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

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

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isomeric SMILES

CC1(C)[C@H](O)CC[C@]2(C)C3=C(C=C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(CO)C[C@H]2[C@]1(C)CC3

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found in taxon

Citrullus lanatus

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stated in

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

Cucumis melo

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stated in

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

Cucumis sativus

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stated in

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

Cucurbita moschata

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stated in

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

Momordica charantia

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stated in

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

Trichosanthes cucumeroides

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stated in

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

Trichosanthes kirilowii

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stated in

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

stated in

Isokarounidiol (D:C-Friedooleana-6,8-diene-3.alpha.,29-diol]: The first naturally occurring triterpene with a .DELTA.6,8-conjugated diene system. Iodine-mediated dehydrogenation and isomerization of its diacetate

Wax gourd

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stated in

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

Lagenaria siceraria

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stated in

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

Identifiers

InChI

InChI=1S/C30H48O2/c1-25(2)22-9-8-21-20(28(22,5)12-11-24(25)32)10-13-30(7)23-18-26(3,19-31)14-15-27(23,4)16-17-29(21,30)6/h8-9,22-24,31-32H,10-19H2,1-7H3/t22-,23+,24+,26+,27+,28+,29+,30-/m0/s1

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InChIKey

XFQPYAUNERUHMH-ZSBHZPGCSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104389589)

(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,7,8,9,10,12,12a,13,14-dodecahydropicen-3-ol

Statements

Identifiers

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