(Q105147311)

English

(1R,2R,3S,4R,6aS,6bR,12aR,14S)-1,2,3,4,6a,6b,9,9,12a-nonamethyl-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14-tetradecahydro-2H-picene-1,10,14-triol

group of stereoisomers with the chemical formula C₃₁H₅₂O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

472.391645524 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₃

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canonical SMILES

OC1C2=C3C(CCC2(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4C1)C(C)C(C)C(C)C3(O)C

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isomeric SMILES

C[C@H]1[C@@H](C)C2CC[C@]3(C)C(=C2[C@](C)(O)[C@@H]1C)[C@@H](O)CC1[C@@]2(C)CCC(O)C(C)(C)C2CC[C@]13C

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found in taxon

Ilex kudingcha

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stated in

Triterpenes and triterpenoid glycosides from the leaves of Ilex kudincha

Ilex kaushue

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stated in

Triterpenes and triterpenoid glycosides from the leaves of Ilex kudincha

Identifiers

InChI

InChI=1S/C31H52O3/c1-17-18(2)20-10-14-30(8)26(25(20)31(9,34)19(17)3)21(32)16-23-28(6)13-12-24(33)27(4,5)22(28)11-15-29(23,30)7/h17-24,32-34H,10-16H2,1-9H3/t17-,18+,19+,20?,21-,22?,23?,24?,28-,29+,30+,31+/m0/s1

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InChIKey

KXFYBGZZEMVXCE-HYASIDGLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXFYBGZZEMVXCE-HYASIDGLSA-N

1 reference

(Q105147311)

(1R,2R,3S,4R,6aS,6bR,12aR,14S)-1,2,3,4,6a,6b,9,9,12a-nonamethyl-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14-tetradecahydro-2H-picene-1,10,14-triol

Statements

Identifiers

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