CAS Registry Number®
6199-67-3
CAS Name
(+)-Cucurbitacin B
Molecular Formula
C32H46O8
Molecular Mass
558.70
Compound Properties
-
Melting Point (1)
184-186 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1
InChIKey
InChIKey=IXQKXEUSCPEQRD-DKRGWESNSA-N
SMILES
C[C@]12[C@@](C)([C@@]([C@@](C(/C=C/C(OC(C)=O)(C)C)=O)(C)O)([C@H](O)C1)[H])CC(=O)[C@]3(C)[C@]2(CC=C4[C@]3(C[C@H](O)C(=O)C4(C)C)[H])[H]
Canonical SMILES
O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C
Other Names for this Substance
- 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2β,9β,10α,16α,23E)-
- 19-Nor-9β,10α-lanosta-5,23-diene-3,11,22-trione, 2β,16α,20,25-tetrahydroxy-9-methyl-, 25-acetate
- (2β,9β,10α,16α,23E)-25-(Acetyloxy)-2,16,20-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione
- Cucurbitacin B
- Cucurbitacine B
- Amarine
- NSC 144154
- NSC 49451
- (+)-Cucurbitacin B
- HY-N 0416
Deleted or Replaced CAS Registry Numbers
120614-91-7, 22076-50-2
