Chem
J-GLOBAL ID:200907002620300511
Nikkaji number:J15.954I
Moronic acid
モロン酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C30 H46 O3
Molecular formula furigana:
C30-H46-O3
Molecular weight:
454.695
InChI:
InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
InChI key:
UMYJVVZWBKIXQQ-QALSDZMNSA-N
SMILES:
CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(=O)O
Systematic name (4):
3-オキソ-5α-オレアナ-18-エン-28-酸
3-オキソオレアナ-18-エン-28-酸
(4aS,6aR,6bR,8aR,12aR,12bR,14aS)-2,2,6a,6b,9,9,12a-ヘプタメチル-10-オキソ-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-イコサヒドロピセン-4a-カルボン酸
(4aS,6aR,6bR,8aR,12aR,12bR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-icosahydropicene-4a-carboxylic acid
Other name (4):
モロン酸
Moronic acid
3-Oxo-5α-olean-18-en-28-oic acid
3-Oxooleana-18-ene-28-oic acid
CAS registry number:
6713-27-5
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