Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (1:1)
CAS Registry Number®
104832-01-1
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CAS Name
Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (1:1)Molecular Formula
C22H29NO5.C18H14O8Cite this Page
Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=104832-01-1 (retrieved ) (CAS RN: 104832-01-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H29NO5.C18H14O8/c1-23-8-7-15-12-18(24-2)19(25-3)13-16(15)17(23)9-14-10-20(26-4)22(28-6)21(11-14)27-5;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h10-13,17H,7-9H2,1-6H3;1-10,13-14H,(H,19,20)(H,21,22)/t17-;13-,14-/m11/s1
InChIKey
InChIKey=LBGVOKZBYXHODD-YVGNGXOTSA-N
SMILES
C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CCN1C)C3=CC(OC)=C(OC)C(OC)=C3.[C@H]([C@@H](OC(=O)C1=CC=CC=C1)C(O)=O)(OC(=O)C2=CC=CC=C2)C(O)=O
Canonical SMILES
O=C(OC(C(=O)O)C(OC(=O)C=1C=CC=CC1)C(=O)O)C=2C=CC=CC2.O(C=1C=C2C(=CC1OC)C(N(C)CC2)CC3=CC(OC)=C(OC)C(OC)=C3)C
Other Names for this Substance
- Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (1:1)
- Butanedioic acid, 2,3-bis(benzoyloxy)-, [R-(R*,R*)]-, compd. with (R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (1:1)
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, (R)-, [R-(R*,R*)]-2,3-bis(benzoyloxy)butanedioate (1:1)
- (R)-(-)-5′-Methoxylaudanosine (-)-dibenzoyltartarate
Deleted or Replaced CAS Registry Numbers
2444362-92-7
