CAS Registry Number®
64657-21-2
CAS Name
Isoforskolin
Molecular Formula
C22H34O7
Molecular Mass
410.50
Compound Properties
-
Melting Point (1)
220-222 °C
Source(s)
- (1) Yang, Jing-Hua; Helvetica Chimica Acta, (2005), 88(5), 968-973, CAplus
Other Names and Identifiers
InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(28-12(2)23)17(26)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChIKey
InChIKey=CLOQVZCSBYBUPB-KGGHGJDLSA-N
SMILES
C[C@@]12[C@]3(O)[C@@](C)([C@@H](O)[C@@H](OC(C)=O)[C@]1(C(C)(C)CC[C@@H]2O)[H])O[C@](C=C)(C)CC3=O
Canonical SMILES
O=C(OC1C(O)C2(OC(C=C)(C)CC(=O)C2(O)C3(C)C(O)CCC(C)(C)C13)C)C
Other Names for this Substance
- 1H-Naphtho[2,1-b]pyran-1-one, 6-(acetyloxy)-3-ethenyldodecahydro-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-
- 1H-Naphtho[2,1-b]pyran-1-one, 6-(acetyloxy)-3-ethenyldodecahydro-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3α,4aβ,5β,6β,6aα,10α,10aβ,10bα)]-
- (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(Acetyloxy)-3-ethenyldodecahydro-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one
- Coleonol B
- Isoforskolin
- Excolabdone C
- (1α,5α,6β,7β)-6-(Acetyloxy)-8,13-epoxy-1,7,9-trihydroxylabd-14-en-11-one
- 6β-Acetoxy-8,13-epoxy-1α,7β,9α-trihydroxylabd-14-en-11-one
Deleted or Replaced CAS Registry Numbers
67921-05-5
