Roridin A
CAS Registry Number®
14729-29-4
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CAS Name
Roridin AMolecular Formula
C29H40O9Molecular Mass
532.62Cite this Page
Roridin A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=14729-29-4 (retrieved ) (CAS RN: 14729-29-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
198-204 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6+/t18-,19-,20-,21-,22-,23-,25+,27?,28-,29+/m1/s1
InChIKey
InChIKey=NSFWWJIQIKBZMJ-JTXWLQGBSA-N
SMILES
CC12[C@@]3([C@]4(C[C@]1(OC(=O)/C=C/C=C/[C@]([C@@H](C)O)(OCC[C@@H](C)[C@H](O)C(=O)OC[C@]25[C@](O4)(C=C(C)CC5)[H])[H])[H])[H])CO3
Canonical SMILES
O=C1OC2CC3OC4C=C(C)CCC4(COC(=O)C(O)C(C)CCOC(C=CC=C1)C(O)C)C2(C)C53OC5
Other Names for this Substance
- Verrucarin A, 7′-deoxo-7′-[(1R)-1-hydroxyethyl]-, (7′R)-
- Roridin A
- Verrucarin A, 7′-deoxo-7′-(1-hydroxyethyl)-, [7′R(R)]-
- Spiro[16,18-methano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2′-oxirane], verrucarin A deriv.
- (7′R)-7′-Deoxo-7′-[(1R)-1-hydroxyethyl]verrucarin A
