CAS Registry Number®
20183-47-5
CAS Name
Tenuifolin
Molecular Formula
C36H56O12
Molecular Mass
680.82
Compound Properties
-
Melting Point (1)
201-204 °C
Source(s)
- (1) Wang, Hao; Zhongguo Zhongyao Zazhi, (2003), 28(9), 828-830, CAplus
Other Names and Identifiers
InChI
InChI=1S/C36H56O12/c1-31(2)10-11-35(30(45)46)12-13-36(17-38)18(19(35)14-31)6-7-22-32(3)15-20(39)27(34(5,29(43)44)23(32)8-9-33(22,36)4)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34-,35-,36-/m0/s1
InChIKey
InChIKey=DBJLNNAUDGIUAE-YGIRLYIESA-N
SMILES
C(O)[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C(=O)O)(C)C5CCC4(C)C3(CO)CC1
Other Names for this Substance
- Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, (2β,3β,4α)-
- Olean-12-ene-23,28-dioic acid, 3β-(β-D-glucopyranosyloxy)-2β,27-dihydroxy-
- Glucopyranoside, 2β,3β,27-trihydroxyolean-12-ene-23,28-dioic acid-3, β-D–
- (2β,3β,4α)-3-(β-D-Glucopyranosyloxy)-2,27-dihydroxyolean-12-ene-23,28-dioic acid
- Tenuifolin
- Presenegenin-3-O-glucoside
- Tenuifoline
