Cinnamtannin B1
CAS Registry Number®
88082-60-4
No image available.
CAS Name
Cinnamtannin B1Molecular Formula
C45H36O18Molecular Mass
864.76Cite this Page
Cinnamtannin B1. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=88082-60-4 (retrieved ) (CAS RN: 88082-60-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
203-206 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1
InChIKey
InChIKey=BYSRPHRKESMCPO-LQNPQWRQSA-N
SMILES
O[C@H]1[C@@]2(OC3=C([C@]1(C=4C(O2)=CC(O)=CC4O)[H])C5=C(C(O)=C3)[C@@H]([C@@H](O)[C@H](O5)C6=CC(O)=C(O)C=C6)C7=C8C(C[C@@H](O)[C@H](O8)C9=CC(O)=C(O)C=C9)=C(O)C=C7O)C%10=CC(O)=C(O)C=C%10
Canonical SMILES
OC=1C=C(O)C2=C(OC3(OC4=CC(O)=C5C(OC(C6=CC=C(O)C(O)=C6)C(O)C5C=7C(O)=CC(O)=C8C7OC(C9=CC=C(O)C(O)=C9)C(O)C8)=C4C2C3O)C%10=CC=C(O)C(O)=C%10)C1
Other Names for this Substance
- 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-, (2R,3R,4S,8S,14R,15R)-
- 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-, [2R-[2α,3α,4β(2R*,3R*),8β,14β,15R*]]-
- (2R,3R,4S,8S,14R,15R)-2,8-Bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol
- Cinnamtannin B1
- LDN 0022358
Deleted or Replaced CAS Registry Numbers
86588-96-7
