(Q105386295)

English

(4aR,6aR,6aR,6bR,8aR,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

424.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(18alpha,19alpha)-5alpha-Urs-20(30)-en-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)CCC5(C)CCC43C)C)C1(C)C

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isomeric SMILES

C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C

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found in taxon

Himalaiella deltoidea

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stated in

Chemical constituents from Saussurea deltoidea

Lipschitziella deltoidea

1 reference

stated in

Chemical constituents from Saussurea deltoidea

Identifiers

InChI

InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21-,22+,23-,25+,27-,28+,29-,30-/m1/s1

0 references

InChIKey

ZYOCVAPRXVCQQR-JWNKXVLCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZYOCVAPRXVCQQR-JWNKXVLCSA-N

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