(Q105123544)

English

(4aS,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,6aR,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₄₆O₄

0 references

canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C(=O)CC(O)C(C)(C)C5CCC4(C)C3(C)CC1)C

0 references

isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1

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found in taxon

Salvia pinnata

1 reference

stated in

Triterpenoids from Salvia pinnata

Identifiers

InChI

InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22-,27+,28+,29-,30-/m0/s1

0 references

InChIKey

IZWBODJDDBCDFA-HLGRXBTNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IZWBODJDDBCDFA-HLGRXBTNSA-N

(Q105123544)

(4aS,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

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