Chem
J-GLOBAL ID:200907002019369229   Nikkaji number:J156.720I

2α,3α,24-Trihydroxyurs-12-en-28-oic acid

2α,3α,24-トリヒドロキシウルサ-12-エン-28-酸
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: C30H48O5
Molecular formula furigana: C30-H48-O5
Molecular weight: 488.709
InChI: InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1
InChI key: JXSVIVRDWWRQRT-UMCOSQRYSA-N
SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3):
  • 2α,3α,24-トリヒドロキシウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,9S,10S,11R,12aR,12bR,14bS)-10,11-ジヒドロキシ-9-(ヒドロキシメチル)-1,2,6a,6b,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (1S,2R,4aS,6aS,6bR,8aR,9S,10S,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (1):
  • 2α,3α,24-Trihydroxyurs-12-en-28-oic acid
CAS registry number: 89786-83-4
Thsaurus map:

Return to Previous Page