3-Acetoxy-8(17),13E-labdadien-15-oic acid

Datasheet MSDS
Catalog Number
ANC01382
Product Name
3-Acetoxy-8(17),13E-labdadien-15-oic acid
Structure
3-Acetoxy-8(17),13E-labdadien-15-oic acid
CAS Number
63399-37-1
IUPAC Name
(E)-5-[(1S,4aR,6S,8aR)-6-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
Synonyms
(2E)-5-[(1S,4aR,6S,8aR)-6-Acetoxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoicacid
Molecular Formula
C22H34O4
Molecular Weight
362.5
Appearance
Powder
Purity
98%
SMILES
C/C(=C\C(=O)O)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CC[C@@H](C2(C)C)OC(=O)C)C
InChI
InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1
InChI Key
OMNJRQNCWHCCBZ-BULWIKRESA-N
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