(Q110193670)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

392.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₀O₄

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canonical SMILES

O=C(C)C1CCC2(C)C1C(O)CC3C4(C)CCC(O)C(C)(C)C4C(O)CC32C

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isomeric SMILES

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

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found in taxon

Panax ginseng

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stated in

A new compound from the leaves of Panax ginseng

Identifiers

InChI

InChI=1S/C24H40O4/c1-13(25)14-7-10-23(5)19(14)15(26)11-17-22(4)9-8-18(28)21(2,3)20(22)16(27)12-24(17,23)6/h14-20,26-28H,7-12H2,1-6H3/t14-,15-,16+,17-,18+,19+,20+,22-,23-,24-/m1/s1

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InChIKey

CEXMMAAALAYHJI-YHSFQWPTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEXMMAAALAYHJI-YHSFQWPTSA-N

(Q110193670)

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

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Identifiers

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