CHEBI:176197 - Lucidenic acid D2

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ChEBI Name Lucidenic acid D2
ChEBI ID CHEBI:176197
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38O8
Net Charge 0
Average Mass 514.615
Monoisotopic Mass 514.25667
InChI InChI=1S/C29H38O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18,25H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,25-,27+,28+,29+/m1/s1
InChIKey LTJSBYAKDOGXLX-JTJCPSTFSA-N
SMILES O([C@H]1[C@]2([C@](C3=C([C@@]4([C@](C(C(=O)CC4)(C)C)(CC3=O)[H])C)C1=O)(C(=O)C[C@@]2([C@@H](CCC(O)=O)C)[H])C)C)C(=O)C
ChEBI Ontology
Outgoing Lucidenic acid D2 (CHEBI:176197) is a triterpenoid (CHEBI:36615)
IUPAC Name
(4R)-4-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual Xref Database
10356956 ChemSpider
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Registry Number Type Source
98665-16-8 CAS Registry Number ChemIDplus