(Q104981276)

English

(4aS,6aS,6bS,8aS,11R,12S,12aS,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

Urs-12-en-3-one

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

(6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one

1 reference

based on heuristic

inferred from SMILES

424.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4aR,6aR,6bS,8aR,11R,12S,12aR,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one

1 reference

based on heuristic

inferred from InChI

(4aR,6aR,6bS,8aR,11R,12S,12aS,14aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)CCC43C)C1(C)C

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isomeric SMILES

C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C)CC[C@H]1C

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Isertia hypoleuca

1 reference

Triterpenoids of Isertia hypoleuca leaves

Identifiers

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/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22-,23-,25-,27+,28-,29-,30+/m1/s1

0 references

DIFWJJFSELKWGA-NQECBLAQSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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