(1R,2R,4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

Catalog No. :: ACPDOA608
CAS No. :: 64199-78-6
Molecular Formula :: C30H48O5
Molecular Weight :: 488.71

IUPAC Name:(1R,2R,4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

(1R,2R,4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid structure diagram

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Product Name	(1R,2R,4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
IUPAC Name	(1R,2R,4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
MDL No.	MFCD28100597
Molecular Formula	C30H48O5
Molecular Weight	488.71
SMILES	C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
InChI Key	YLHQFGOOMKJFLP-JGLQYCRZSA-N
Synonym	(3alpha,4beta)-3,19,23-Trihydroxyurs-12-en-28-oic acid;barbinervic acid;(4S)-3α,19,24-Trihydroxyurs-12-en-28-oic acid;Urs-12-en-28-oic acid,3,19,23-trihydroxy-, (3a,4b)-;Urs-12-en-28-oic acid, 3,19,23-trihydroxy-, (3α,4β)-
CAS No.	64199-78-6

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ACPDOA60864199-78-6

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ACPDOA60864199-78-6

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(1R,2R,4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

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1. ACPDOA608 Molecular Building Block Synthetic Route

2. ACPDOA608 Molecular Building Block Synthetic Route

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(1R,2R,4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

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Synthetic Route by SureRoute

(1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10-Dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

(1R,2R,4aS,6aS,6bR,12aR,12bR,14bS)-1,8,10-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

(1R,2R,4aS,6aS,6bR,8aR,9R,10S,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

(1R,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

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