(S,Z)-6-((3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylhept-2-enoic acid

Catalog No. :: ACRUMQ227
CAS No. :: 159623-48-0
Molecular Formula :: C30H46O4
Molecular Weight :: 470.69

IUPAC Name:(S,Z)-6-((3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylhept-2-enoic acid

(S,Z)-6-((3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylhept-2-enoic acid structure diagram

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Product Information

Product Name	(S,Z)-6-((3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylhept-2-enoic acid
IUPAC Name	(S,Z)-6-((3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylhept-2-enoic acid
Molecular Formula	C30H46O4
Molecular Weight	470.69
SMILES	C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)CC[C@]23C)[C@@]1(C)CCC(=O)O
InChI Key	VGVAABHRCNAZRM-UKFNWJJFSA-N
Synonym	3,4-Secotirucalla-4(28),7,24-triene-3,26-dioic acid;(24Z)-3,4-Secotirucalla-4(28),7,24-triene-3,26-dioic acid;3,4-Secolanosta-4(28),7,24-triene-3,26-dioic acid, (13α,14β,17α,20S,24Z)- (9CI);24- triene-3;26-dioic acid;4-Secotirucalla-4(28)
CAS No.	159623-48-0

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ACRUMQ227159623-48-0

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ACRUMQ227159623-48-0

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(S,Z)-6-((3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylhept-2-enoic acid

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1. ACRUMQ227 Molecular Building Block Synthetic Route

2. ACRUMQ227 Molecular Building Block Synthetic Route

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(S,Z)-6-((3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylhept-2-enoic acid

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Synthetic Route by SureRoute

Kadsuric acid

(Rac)-β-Chamigrenic acid

(E)-6-(8-(2-carboxyethyl)-4a,8-dimethyl-1-methylene-7-(prop-1-en-2-yl)-2,3,4,4a,4b,5,6,7,8,9a-decahydro-1H-fluoren-2-yl)-2-methylhept-2-enoic acid

6-(6-(2-carboxyethyl)-7-(1-carboxyethylidene)-3a,5a,9b-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylhept-2-enoic acid

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