Retaspimycin
CAS Registry Number®
857402-23-4
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CAS Name
RetaspimycinMolecular Formula
C31H45N3O8Molecular Mass
587.70Cite this Page
Retaspimycin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=857402-23-4 (retrieved ) (CAS RN: 857402-23-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9+,18-10-,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
InChIKey
InChIKey=OAKGNIRUXAZDQF-PCFFWMFCSA-N
SMILES
N(CC=C)C1=C2C(O)=C(C=C1O)NC(=O)\C(\C)=C/C=C/[C@H](OC)[C@@H](OC(N)=O)\C(\C)=C\[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)C2
Canonical SMILES
O=C(OC1C(=CC(C)C(O)C(OC)CC(C)CC2=C(O)C(=CC(O)=C2NCC=C)NC(=O)C(=CC=CC1OC)C)C)N
Other Names for this Substance
- Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propen-1-ylamino)-
- Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-
- 18,21-Didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propen-1-ylamino)geldanamycin
- 17 AAGH2
- Retaspimycin
