(Q105220523)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

438.349780712 dalton

1 reference

1 reference

C₃₀H₄₆O₂

0 references

canonical SMILES

O=CC12CCC(C)(C)CC2C3=CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

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

0 references

found in taxon

Gardenia gummifera

1 reference

stated in

Triterpenoids of the stem bark of Gardenia gummifera

Identifiers

InChI

InChI=1S/C30H46O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-23H,9-18H2,1-7H3/t21-,22+,23-,27-,28+,29+,30+/m0/s1

0 references

InChIKey

QGPIUZIWMRUUCS-FXTFSDNBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QGPIUZIWMRUUCS-FXTFSDNBSA-N

(Q105220523)

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

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Identifiers

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